Name: DIBROMODULCITOL
SKU: 10318-26-0

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Basic Information

Molecular Structure:
CAS No.:	10318-26-0
Name:	DIBROMODULCITOL

Formula:	C6H12 Br2 O4
Molecular Weight:	307.967
Synonyms:	1,6-Dibromo-1,6-dideoxy-D-dulcitol;1,6-Dibromo-1,6-dideoxydulcitol; 1,6-Dibromodideoxydulcitol;1,6-Dibromodulcitol; DBD; DBD (alcohol); Dibromdulcit; Dibromodulcitol;Dibromogalactitol; Elobromol; Mitolactol; NCI C04795; NSC 104800
Density:	2.117g/cm³
Melting Point:	183-185
Boiling Point:	511.2°Cat760mmHg
Flash Point:	263°C
Solubility:	Insoluble(<0.1g/100mL)
Safety:	Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Human mutation data reported. An anti-cancer agent taken orally. When heated to decomposition it emits very toxic fumes of Br⁻.
PSA:	80.92000
LogP:	-0.78020

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Chemistry

Molecule structure of Dibromodulcitol (CAS NO.10318-26-0):

IUPAC Name: 1,6-Dibromohexane-2,3,4,5-tetrol
Molecular Weight: 307.96508 g/mol
Molecular Formula: C₆H₁₂Br₂O₄
Density: 2.117 g/cm³
Boiling Point: 511.2 °C at 760 mmHg
Flash Point: 263 °C
Index of Refraction: 1.622
Molar Refractivity: 51.28 cm³
Molar Volume: 145.4 cm³
Polarizability: 20.33×10^-24 cm³
Surface Tension: 77.4 dyne/cm
Enthalpy of Vaporization: 90.04 kJ/mol
Vapour Pressure: 1.37E-12 mmHg at 25 °C
XLogP3: -0.3
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 307.908187
MonoIsotopic Mass: 305.910234
Topological Polar Surface Area: 80.9
Heavy Atom Count: 12
Complexity: 110
Canonical SMILES: C(C(C(C(C(CBr)O)O)O)O)Br
InChI: InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2
InChIKey of Dibromodulcitol (CAS NO.10318-26-0): VFKZTMPDYBFSTM-UHFFFAOYSA-N

Toxicity Data With Reference

1.	mmo-sat 100 µg/plate	CRNGDP Carcinogenesis. 3 (1982),333.
2.	dnd-rat-ipr 110 mg/kg	CBINA8 Chemico-Biological Interactions. 47 (1983),133.
3.	bfa rat/sat 450 mg/kg	CRNGDP Carcinogenesis. 3 (1982),333.
4.	sce-ham:oth 5500 ng/L	CNREA8 Cancer Research. 43 (1983),4530.
5.	dnd-mam:lym 150 mmol/L	CBINA8 Chemico-Biological Interactions. 47 (1983),133.
6.	orl-rat LD50:1000 mg/kg	CCROBU Cancer Chemotherapy Reports, Part 1. 56 (1972),593.
7.	ipr-rat LD50:470 mg/kg	CCROBU Cancer Chemotherapy Reports, Part 1. 56 (1972),593.
8.	orl-mus LD50:1238 mg/kg	NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
9.	ipr-mus LD50:550 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 17 (1967),145.
10.	orl-rbt LD50:300 mg/kg	CCROBU Cancer Chemotherapy Reports, Part 1. 56 (1972),593.

Consensus Reports

NCI Carcinogenesis Bioassay Completed; Results Positive: mouse, rat ( RRCRBU Recent Results in Cancer Research. 52 (1975),1. ).

Safety Profile

Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Human mutation data reported. An anti-cancer agent taken orally. When heated to decomposition it emits very toxic fumes of Br⁻.

Specification

Dibromodulcitol (CAS NO.10318-26-0) is also named as 1,6-Dibromo-1,6-dideoxy-D-galactitol ; 1,6-Dibromo-1,6-dideoxydulcitol ; 1,6-Dibromo-1,6-dideoxydulcitol (VAN) ; 1,6-Dibromodideoxydulcitol ; 1,6-Dibromodulcitol ; AI3-52708 ; CCRIS 6226 ; DBD ; DBD (alcohol) ; Dibromdulcit ; Dibromdulcitol ; Elobromol ; Mitolactol ; Mitolactolum ; Mitolactolum [INN-Latin] ; NCI-C04795 ; NSC 104800 ; NSC-104800 .